ピーク情報

細ネギ（若香）地上部

pos

Peak #4579 MN MID: SE201_S11_M90

m/z: 607.34914, RT: 44.09, 強度: 112500, ログ強度: 1.66, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 3

DB検索結果: (8 names) 3-O-(beta-D-glucopyranosyl)-2beta,3beta,20,22R-tetrahydroxy-14alpha,15alpha-epoxy-5beta-cholest-7-en-6-one;3-O-(Rhaa1-2Glcb)-3beta-hydroxy-pregna-5,16-dien-20-one;Simplexin E;(+)-Simplexin E;Caribenol...

DBごとのヒット数: ALL 7 KG 1 KN 1 LM 5

FlavonoidSearch最大スコア MS2: -, MS3: 0.250

組成式	分子量	誤差(Δppm）	候補化合物名（代表で最短名を記載）	化合物ID
C33H52O11	624.35096	2.342	3-O-(beta-D-glucopyranosyl)-2beta,3beta,20,22R-tetrahydroxy-14alpha,15alpha-epoxy-5beta-cholest-7-en-6-one	LipidMAPS: LMST01010432
C33H52O11	624.35096	2.342	3-O-(Rhaa1-2Glcb)-3beta-hydroxy-pregna-5,16-dien-20-one	LipidMAPS: LMST02030217
C33H52O11	624.35096	2.342	Simplexin E	KNApSAcK: C00047572
C33H52O11	624.35096	2.342	Caribenolide I	KEGG: C20007
C33H52O11	624.35096	2.342	(3beta, 5beta)-pregn-16(17)-en-3-ol-20-one 3-O-alpha-l-rhamnopyranosyl-(1-4)-beta-d-glucopyranoside	LipidMAPS: LMST02030244
C33H52O11	624.35096	2.342	(3beta, 5beta)-pregn-16(17)-en-3-ol-20-one 3-O-alpha-l-rhamnopyranosyl-(1-2)-beta-d-glucopyranoside	LipidMAPS: LMST02030245
C33H52O11	624.35096	2.342	3-O-(Rhaa1-4Glcb)-3beta-hydroxy-pregna-5,16-dien-20-one	LipidMAPS: LMST02030218

MSnスペクトル情報

Level: 2, プリカーサーm/z: 607.34790

Splash: splash10-0002-0001900000-53843b2da847001667e7

m/z	Int.	NL	Rel.Int.
445.27	62126	162	1000
301.18	10445	306	168

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[Flavone]-A(2OH, 1(1(O-Acetyl)-C-Glu), 1(C-Xylosyl))-B(1OH)	Flavone	Vicenin-1 6''-O-acetate

Level: 3, プリカーサーm/z: 445.27100

Splash: splash10-0udi-0039000000-8d5ff645a9536002658c

m/z	Int.	NL	Rel.Int.
301.17	31562	144	1000
283.17	11109	162	351
313.31	2619	132	82
265.20	1834	180	58

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(1OMe)	Flavone	7-Hydroxy-5,4'-dimethoxyflavone 8-C-rhamnoside
[Flavone]-A(2OH, 1(3,4-Dihydroxy-6-methyl-5-oxotetrahydro-2-pyranyl))-B(1OH, 1OMe)	Flavone	3'-O-Methylderhamnosylmaysin
[Flavone]-A(2OH, 1(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl))-B(1OH, 1OMe)	Flavone	6-C-(6-Deoxy-ribo-hexos-3-ulosyl)diosmetin
[UBR-type derivative / [3',6']-Benzoquinonyl-type [2',3]-Isopropenylethenoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	UBR-type derivative / [3',6']-Benzoquinonyl-type [2',3]-Isopropenylethenoflavone	Artomunoxanthentrione
[Isoflavone]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(1OMe)	Isoflavone	Isovolubilin
[Isoflavone]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(1OMe)	Isoflavone	Volubilin

Level: 3, プリカーサーm/z: 301.18079

Splash: splash10-001i-0090000000-ceb235b54f9047157a33

m/z	Int.	NL	Rel.Int.
283.25	5472	18	1000
265.18	942	36	172
255.15	341	46	62

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.250	[Dihydroflavonol]-A(2OMe)-B(none)	Dihydroflavonol	5,7-Di-O-methylpinobanksin
0.200	[Isoflavanone]-A(1OH)-B(2OMe)	Isoflavanone	3'-Methoxydihydroformononetin
0.200	[Isoflavanone]-A(1OH)-B(2OMe)	Isoflavanone	Sativanone
0.200	[Isoflavanone]-A(1OMe)-B(1OH, 1OMe)	Isoflavanone	Isosativanone
0.111	[Isoflavone]-A(1OH)-B(2OH, 1OMe)	Isoflavone	Gliricidin
0.111	[Isoflavone]-A(1OH)-B(2OH, 1OMe)	Isoflavone	7,2',4'-Trihydroxy-3'-methoxyisoflavone
0.111	[Isoflavone]-A(1OH)-B(2OH, 1OMe)	Isoflavone	Koparin
0.111	[Isoflavone]-A(2OH, 1OMe)-B(1OH)	Isoflavone	7,8,4'-Trihydroxy-6-methoxyisoflavone
0.111	[Isoflavone]-A(2OH, 1OMe)-B(1OH)	Isoflavone	Tectorigenin
0.111	[Isoflavone]-A(2OH, 1OMe)-B(1OH)	Isoflavone	Isotectorigenin
0.111	[Isoflavone]-A(1OH, 1OMe)-B(2OH)	Isoflavone	Santal
0.111	[Isoflavone]-A(1OH, 1OMe)-B(2OH)	Isoflavone	Cajanin
0.111	[Isoflavone]-A(2OH)-B(1OH, 1OMe)	Isoflavone	7,8,3'-Trihydroxy-4'-methoxyisoflavone
0.111	[Isoflavone]-A(2OH)-B(1OH, 1OMe)	Isoflavone	3'-O-Methylorobol
0.111	[Isoflavone]-A(2OH)-B(1OH, 1OMe)	Isoflavone	Pratensein
0.111	[Isoflavone]-A(2OH)-B(1OH, 1OMe)	Isoflavone	2'-Hydroxybiochanin A
0.091	[2'-Hydroxychalcone]-A(2OH, 2OMe)-B(none)	2'-Hydroxychalcone	Pashanone
0.091	[2'-Hydroxychalcone]-A(2OH, 2OMe)-B(none)	2'-Hydroxychalcone	2',4'-Dihydroxy-3',6'-dimethoxychalcone
0.091	[2'-Hydroxychalcone]-A(2OH, 2OMe)-B(none)	2'-Hydroxychalcone	2',3'-Dihydroxy-4',6'-dimethoxychalcone
0.091	[2'-Hydroxychalcone]-A(2OH)-B(2OMe)	2'-Hydroxychalcone	2',4'-Dihydroxy-3,4-dimethoxychalcone
0.091	[2'-Hydroxychalcone]-A(1OH, 2OMe)-B(1OH)	2'-Hydroxychalcone	Heliannone A
0.091	[2'-Hydroxychalcone]-A(1OH, 2OMe)-B(1OH)	2'-Hydroxychalcone	Flavokawin C
0.091	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OMe)	2'-Hydroxychalcone	Kukulkanin A
0.091	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OMe)	2'-Hydroxychalcone	Gymnogrammene
0.091	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OMe)	2'-Hydroxychalcone	2',4'-Dihydroxy-4,6'-dimethoxychalcone
0.077	[Chalcone]-A(1OH, 2OMe)-B(1OH)	Chalcone	4,4'-Dihydroxy-2',6'-dimethoxychalcone
0.077	[Chalcone]-A(1OMe)-B(2OH, 1OMe)	Chalcone	2,4-Dihydroxy-6,4'-dimethoxychalcone
0.077	[Flavanone]-A(2OMe)-B(1OH)	Flavanone	Naringenin 5,7-dimethyl ether
0.077	[Flavanone]-A(1OH, 2OMe)-B(none)	Flavanone	6-Hydroxy-5,7-dimethoxyflavanone
0.077	[Flavanone]-A(1OH, 2OMe)-B(none)	Flavanone	Onysilin
0.077	[Flavanone]-A(1OH, 2OMe)-B(none)	Flavanone	8-Hydroxy-5,7-dimethoxyflavanone
0.077	[Flavanone]-A(1OH, 2OMe)-B(none)	Flavanone	5-Hydroxy-7,8-dimethoxyflavanone
0.077	[Flavanone]-A(1OH, 1OMe)-B(1OMe)	Flavanone	Tsugafolin
0.077	[Flavanone]-A(1OH, 1OMe)-B(1OMe)	Flavanone	Naringenin 7,4'-dimethyl ether
0.071	[Anthocyanidin]-A(2OH)-B(1OH, 1OMe)	Anthocyanidin	Peonidin
0.071	[Anthocyanidin]-A(1OH, 1OMe)-B(2OH)	Anthocyanidin	5-Methoxycyanidin
0.063	[Flavonol]-A(1OH, 1OMe)-B(1OH)	Flavonol	Datin
0.063	[Flavonol]-A(1OH, 1OMe)-B(1OH)	Flavonol	Kaempferol 5-methyl ether
0.063	[Flavonol]-A(1OH, 1OMe)-B(1OH)	Flavonol	Rhamnocitrin
0.063	[Flavonol]-A(2OH, 1OMe)-B(none)	Flavonol	Alnusin
0.063	[Flavonol]-A(2OH, 1OMe)-B(none)	Flavonol	8-Hydroxygalangin 7-methyl ether
0.063	[Flavonol]-A(2OH, 1OMe)-B(none)	Flavonol	8-Methoxygalangin
0.063	[Flavonol]-A(1OH)-B(1OH, 1OMe)	Flavonol	Geraldol
0.063	[Flavonol]-A(1OH)-B(1OH, 1OMe)	Flavonol	Fisetin 4'-methyl ether
0.063	[Flavonol]-A(2OH)-B(1OMe)	Flavonol	3,6,7-Trihydroxy-4'-methoxyflavone
0.063	[Flavonol]-A(2OH)-B(1OMe)	Flavonol	Ptaeroxylol
0.063	[Flavonol]-A(2OH)-B(1OMe)	Flavonol	Kaempferide
0.000	[Flavone]-A(1OH, 1OMe)-B(2OH)	Flavone	7,3',4'-Trihydroxy-6-methoxyflavone
0.000	[Flavone]-A(2OH)-B(1OH, 1OMe)	Flavone	5,7,2'-Trihydroxy-6'-methoxyflavone
0.000	[Flavone]-A(1OH, 1OMe)-B(2OH)	Flavone	5,2',6'-Trihydroxy-7-methoxyflavone
0.000	[Flavone]-A(2OH)-B(1OH, 1OMe)	Flavone	Chrysoeriol
0.000	[Flavone]-A(2OH)-B(1OH, 1OMe)	Flavone	Diosmetin
0.000	[Flavone]-A(1OH, 1OMe)-B(2OH)	Flavone	Luteolin 5-methyl ether
0.000	[Flavone]-A(1OH, 1OMe)-B(2OH)	Flavone	Luteolin 7-methyl ether
0.000	[Flavone]-A(1OH, 1OMe)-B(2OH)	Flavone	Artocarpetin
0.000	[Flavone]-A(2OH, 1OMe)-B(1OH)	Flavone	5,7,2'-Trihydroxy-6-methoxyflavone
0.000	[Flavone]-A(3OH)-B(1OMe)	Flavone	Scutellarein 4'-methyl ether
0.000	[Flavone]-A(2OH, 1OMe)-B(1OH)	Flavone	Hispidulin
0.000	[Flavone]-A(2OH, 1OMe)-B(1OH)	Flavone	Sorbifolin
0.000	[Flavone]-A(2OH, 1OMe)-B(1OH)	Flavone	5,8,2'-Trihydroxy-7-methoxyflavone
0.000	[Flavone]-A(2OH, 1OMe)-B(1OH)	Flavone	Scutevulin
0.000	[Flavone]-A(3OH)-B(1OMe)	Flavone	Takakin
0.000	[Flavone]-A(2OH, 1OMe)-B(1OH)	Flavone	Isocutellarein 7-methyl ether
0.000	[Flavone]-A(2OH, 1OMe)-B(1OH)	Flavone	Isoscutellarein 8-methyl ether
0.000	[Coumestan]-A(2OH)-B(2OH)	Coumestan	Demethylwedelolactone
0.000	[Pterocarpan]-A(1OH, 1OMe)-B(1OMe)	Pterocarpan	2-Methoxymedicarpin
0.000	[Pterocarpan]-A(1OH, 1OMe)-B(1OMe)	Pterocarpan	Melilotocarpan A
0.000	[Pterocarpan]-A(1OH, 1OMe)-B(1OMe)	Pterocarpan	4-Methoxymedicarpin
0.000	[Pterocarpan]-A(1OH)-B(2OMe)	Pterocarpan	Methylnissolin
0.000	[Pterocarpan]-A(2OMe)-B(1OH)	Pterocarpan	Sparticarpin
0.000	[Pterocarpan]-A(1OMe)-B(1OH, 1OMe)	Pterocarpan	8-Hydroxy-3,9-dimethoxypterocarpan
0.000	[Pterocarpan]-A(1OMe)-B(1OH, 1OMe)	Pterocarpan	Fruticarpin
0.000	[Aurone]-A(1OH, 1OMe)-B(2OH)	Aurone	Leptosidin
0.000	[Aurone]-A(1OH, 1OMe)-B(2OH)	Aurone	Rengasin
0.000	[Aurone]-A(2OH, 1Methyl)-B(2OH)	Aurone	4,6,3',4'-Tetrahydroxy-5-methylaurone
0.000	[Aurone]-A(2OH, 1Methyl)-B(2OH)	Aurone	4,6,3',4'-Tetrahydroxy-7-methylaurone
0.000	[CCS-type derivative / [alpha,2]-Epoxymethanochalcone]-A(2OH)-B(2OH)	CCS-type derivative / [alpha,2]-Epoxymethanochalcone	Peltochalcone
0.000	[CCS-type derivative / [alpha,2]-Epoxymethanochalcone]-A(2OH)-B(2OH)	CCS-type derivative / [alpha,2]-Epoxymethanochalcone	Mopachalcone
0.000	[UBR-type derivative / [2',5']-Benzoquinonyl-type chalcone]-A(2OH, 1OMe)-B(none)	UBR-type derivative / [2',5']-Benzoquinonyl-type chalcone	Pedicinin
0.000	[UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone (alpha-OMe)]-A(2OMe)-B(none)	UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone	Methylliderone
0.000	[Dihydrochalcone]-A(1OH, 2OMe, 1Methyl)-B(none)	Dihydrochalcone	2'-Hydroxy-4',6'-dimethoxy-3'-methyldihydrochalcone
0.000	[Dihydrochalcone]-A(2OH, 1OMe, 2Methyl)-B(none)	Dihydrochalcone	Myrigalon B
0.000	[Dihydrochalcone]-A(2OH, 1OMe, 2Methyl)-B(none)	Dihydrochalcone	Angoletin
0.000	[Dihydrochalcone]-A(3OH, 1Formyl, 1Methyl)-B(none)	Dihydrochalcone	3'-Formyl-2',4',6'-trihydroxy-5'-methyldihydrochalcone
0.000	[UBR-type derivative / 2',4',6'-trioxocyclohexanyl-type Dihydrochalcone]-A(3Methyl)-B(none)	UBR-type derivative / 2',4',6'-trioxocyclohexanyl-type Dihydrochalcone	2,2,4-Trimethyl-6-(1-oxo-3-phenylpropyl)-1,3,5-cyclohexanetrione
0.000	[Flavanone]-A(1OH, 1OMe, 1Methyl)-B(1OH)	Flavanone	5,4'-Dihydroxy-7-methoxy-6-methylflavanone
0.000	[Flavanone]-A(2OH, 1Methyl)-B(1OMe)	Flavanone	5,7-Dihydroxy-4'-methoxy-8-methylflavanone
0.000	[Flavanone]-A(1OH, 1OMe, 1Methyl)-B(1OH)	Flavanone	5,4'-Dihydroxy-7-methoxy-8-methylflavanone
0.000	[Flavanone]-A(2OH, 2Methyl)-B(1OH)	Flavanone	Farrerol
0.000	[Flavanone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH)	Flavanone	5,2'-Dihydroxy-6,7-methylenedioxyflavanone
0.000	[2-Hydroxyflavanone]-A(1OH, 1OMe, 1Methyl)-B(none)	2-Hydroxyflavanone	2,5-Dihydroxy-7-methoxy-6-methylflavanone
0.000	[2-Hydroxyflavanone]-A(1OH, 1OMe, 1Methyl)-B(none)	2-Hydroxyflavanone	2,5-Dihydroxy-7-methoxy-8-methylflavanone
0.000	[3-substituted Flavone (3-Methyl)]-A(2OH)-B(2OH)	3-substituted Flavone	3-C-Methylluteolin
0.000	[Flavone]-A(2OH, 1Methyl)-B(2OH)	Flavone	6-Methylluteolin
0.000	[Dihydroflavonol]-A(1OH, 1([@@]-Methylenedioxy))-B(none)	Dihydroflavonol	3,5-Dihydroxy-6,7-methylenedioxyflavanone
0.000	[CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone]-A(1OH)-B(2OH)	CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone	Peltogynone
0.000	[CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone]-A(1OH)-B(2OH)	CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone	Mopanone
0.000	[Flavonol (3-OMe)]-A(1OH)-B(2OH)	Flavonol	Fisetin 3-methyl ether
0.000	[Flavonol (3-OMe)]-A(2OH)-B(1OH)	Flavonol	6,7,4'-Trihydroxy-3-methoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH)-B(1OH)	Flavonol	7,8,4'-Trihydroxy-3-methoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH)-B(1OH)	Flavonol	Isokaempferide
0.000	[Flavonol]-A(2OH, 1Methyl)-B(1OH)	Flavonol	6-C-Methylkaempferol
0.000	[Flavonol]-A(2OH, 1Methyl)-B(1OH)	Flavonol	8-C-Methylkaempferol
0.000	[Flavonol]-A(3OH, 1Methyl)-B(none)	Flavonol	Isoplatanin
0.000	[Flavonol (3-OMe)]-A(3OH)-B(none)	Flavonol	8-Hydroxygalangin 3-methyl ether
0.000	[Flavonol]-A(3OH, 1Methyl)-B(none)	Flavonol	Platanin
0.000	[Flavan]-A(1OMe)-B(1OH, 1([@@]-Methylenedioxy))	Flavan	2'-Hydroxy-7-methoxy-4',5'-methylenedioxyflavan
0.000	[Flavan]-A(2OMe)-B(1OMe)	Flavan	5,7,4'-Trimethoxyflavan
0.000	[Flavan]-A(2OMe, 1Methyl)-B(1OH)	Flavan	4'-Hydroxy-5,7-dimethoxy-8-methylflavan
0.000	[3-DehydroxyAnthocyanidin]-A(2OH, 1OMe)-B(2OH)	3-DehydroxyAnthocyanidin	5-Methyl-6-hydroxyluteolinidin
0.000	[Isoflavanone]-A(1OH)-B(1OH, 1([@@]-Methylenedioxy))	Isoflavanone	Sophorol
0.000	[Isoflavan]-A(1OH)-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavan	Astraciceran
0.000	[isoflavene]-A(1OH)-B(1OH, 2OMe)	isoflavene	2'-O-Methylsepiol
0.000	[isoflavene]-A(1OH)-B(1OH, 2OMe)	isoflavene	Haginin A
0.000	[isoflavene]-A(1OH)-B(1OH, 2OMe)	isoflavene	Odoriflavene
0.000	[isoflavene]-A(1OH, 1OMe)-B(1OH, 1OMe)	isoflavene	7,2'-Dihydroxy-8,4'-dimethoxyisoflav-3-ene
0.000	[Pterocarpan]-A(2OH)-B(1([@@]-Methylenedioxy))	Pterocarpan	2-Hydroxymaackiain
0.000	[Pterocarpan]-A(2OH)-B(1([@@]-Methylenedioxy))	Pterocarpan	4-Hydroxymaackiain
0.000	[Pterocarpan-6a-ol]-A(1OMe)-B(1OMe)	Pterocarpan-6a-ol	Homopisatin
0.000	[Pterocarpan-6a-ol]-A(1OH)-B(1([@@]-Methylenedioxy))	Pterocarpan-6a-ol	6a-Hydroxymaackiain
0.000	[Pterocarpan-6-ol (6-OMe)]-A(1OH)-B(1OMe)	Pterocarpan-6-ol	Sophoracarpan A
0.000	[2-Phenylbenzofuran]-A(1OH, 1OMe)-B(2OMe)	2-Phenylbenzofuran	Methylsainfuran
0.000	[2-Phenylbenzofuran]-A(1([@@]-Methylenedioxy))-B(2OH, 1OMe)	2-Phenylbenzofuran	Sophorafuran A
0.000	[4-phenylcoumarin]-A(1OH, 1OMe)-B(2OH)	4-phenylcoumarin	5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin
0.000	[4-phenylcoumarin]-A(1OH, 1OMe)-B(2OH)	4-phenylcoumarin	7,3',4'-Trihydroxy-5-methoxy-4-phenylcoumarin
0.000	[Dalbergiquinol]-A(3OMe)-B(1OH)	Dalbergiquinol	5-O-Methyllatifolin
0.000	[UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol]-A(1OH)-B(2OMe)	UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol	4'-Hydroxy-3,4-dimethoxydalbergione
0.000	[UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol]-A(1OMe)-B(1OH, 1OMe)	UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol	3'-Hydroxy-4,4'-dimethoxydalbergione

ピーク番号	保持時間 (min)	m/z	m/z差分	ログ強度	アダクト	DB検索結果	ヒット数	MSn	FS2	FS3	共有数
	43.91	625.35860	18.0095	2.00	[M+H]+	(8 names) 3-O-(beta-D-glucopyranosyl)-2beta,3beta,20,22R-tetrahydroxy-14alpha,15alpha-epoxy-5beta-cholest-7-en-6-one; 3-O-(Rhaa1-2Glcb)-3beta-hydroxy-pregna-5,16-dien-20-one; Simplexin E; (+)-Simplexin E; Caribenol...	ALL 7 KG 1 KN 1 LM 5	MS2 MS3 x 2		0.250	2
4579	44.09	607.34914	0.0000	1.66	[M-H2O+H]+	(8 names) 3-O-(beta-D-glucopyranosyl)-2beta,3beta,20,22R-tetrahydroxy-14alpha,15alpha-epoxy-5beta-cholest-7-en-6-one; 3-O-(Rhaa1-2Glcb)-3beta-hydroxy-pregna-5,16-dien-20-one; Simplexin E; (+)-Simplexin E; Caribenol...	ALL 7 KG 1 KN 1 LM 5	MS2 MS3 x 2		0.250	3

ピーク情報

DB検索結果

MSnスペクトル情報

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